Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Mode of action and design rules for additives that modulate crystal nucleation
AU - Anwar, Jamshed
AU - Boateng, Papa Kofi
AU - Tamaki, Reiko
AU - Odedra, Sheetal
PY - 2009
Y1 - 2009
N2 - Molecular dynamics simulations reveal that the key factors that determine the ability of an additive to modulate crystal nucleation are the strength of its interaction with the solute, its disruptive ability (which may be based on steric, entropic, or energetic effects), and interfacial properties, along with its ability to serve as a template for nucleation (see snapshot of an emerging nucleus with a single-particle additive: black spheres).
AB - Molecular dynamics simulations reveal that the key factors that determine the ability of an additive to modulate crystal nucleation are the strength of its interaction with the solute, its disruptive ability (which may be based on steric, entropic, or energetic effects), and interfacial properties, along with its ability to serve as a template for nucleation (see snapshot of an emerging nucleus with a single-particle additive: black spheres).
KW - crystal engineering
KW - nucleation inhibition
KW - ACID
KW - PROTEIN
KW - AQUEOUS-SOLUTION
KW - MECHANISM
KW - crystal nucleation
KW - MOLECULAR-DYNAMICS SIMULATIONS
KW - CRYSTALLIZATION
KW - GROWTH
KW - LIQUID PHASE-BOUNDARY
KW - additives
KW - molecular dynamics
KW - INHIBITION
UR - http://www.scopus.com/inward/record.url?scp=60749104808&partnerID=8YFLogxK
U2 - 10.1002/anie.200804553
DO - 10.1002/anie.200804553
M3 - Journal article
VL - 48
SP - 1596
EP - 1600
JO - Angewandte Chemie International Edition
JF - Angewandte Chemie International Edition
SN - 1433-7851
IS - 9
ER -